[4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] 2-methylpropanoate

Systemtic Name: [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] 2-methylpropanoate Openeye Name: [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] ester IUPAC Name: [4,5,7-trimethyl-2-[(4-sulfamoylphenyl)methylamino]-1,3-benzothiazol-6-yl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [4,5,7-trimethyl-2-[(4-sulfamoylbenzyl)amino]-1,3-benzothiazol-6-yl] ester Formula: C21H25N3O4S2 MolecularWeight: 447.5709

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N)C)OC(=O)C(C)C)C

Isomeric SMILES

CC1=C(C(=C(C2=C1N=C(S2)NCC3=CC=C(C=C3)S(=O)(=O)N)C)OC(=O)C(C)C)C

InChI

InChI=1S/C21H25N3O4S2/c1-11(2)20(25)28-18-13(4)12(3)17-19(14(18)5)29-21(24-17)23-10-15-6-8-16(9-7-15)30(22,26)27/h6-9,11H,10H2,1-5H3,(H,23,24)(H2,22,26,27)